CID 318001

Nsc252021

Structural Information

Molecular Formula
C22H28N4O2
SMILES
CCN(CC)CCCNC1=C2C=CC3=C(C2=NC=C1C(=O)OCC)C=CC=N3
InChI
InChI=1S/C22H28N4O2/c1-4-26(5-2)14-8-13-24-21-17-10-11-19-16(9-7-12-23-19)20(17)25-15-18(21)22(27)28-6-3/h7,9-12,15H,4-6,8,13-14H2,1-3H3,(H,24,25)
InChIKey
ZJGAXMSUVRMDJR-UHFFFAOYSA-N
Compound name
ethyl 4-[3-(diethylamino)propylamino]-1,7-phenanthroline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.22122 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22850 194.5
[M+Na]+ 403.21044 200.6
[M-H]- 379.21394 197.8
[M+NH4]+ 398.25504 205.7
[M+K]+ 419.18438 196.2
[M+H-H2O]+ 363.21848 183.6
[M+HCOO]- 425.21942 214.9
[M+CH3COO]- 439.23507 230.5
[M+Na-2H]- 401.19589 200.2
[M]+ 380.22067 201.0
[M]- 380.22177 201.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.